Molecule

ID:48359

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆ClN₃
Molecular Mass
213.70714
Exact Mass
213.10327521
Charge
0
InChI
InChI=1S/C10H16ClN3/c1-3-5-14(6-4-2)10-7-9(11)12-8-13-10/h7-8H,3-6H2,1-2H3
InChIKey
YXNOZPKYQOLASD-UHFFFAOYSA-N
Canonic Smiles
CCCN(c1ncnc(c1)Cl)CCC
Isomeric Smiles
c1(cc(ncn1)Cl)N(CCC)CCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.3341618
LogD (pH = 7.4)
3.3351073
Log P
3.3351195
Molar Refractivity
61.8757
Polarizability
22.662605
Polar Surface Area
29.02
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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